SCHEMBL8920121

SCHEMBL8920121

C=C(C)C(=O)OCCCC.C=CCOC(=O)C(=C)CC(COC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6235107 0.92 TSHR (0.54) TSHRHPGDTHRBPOLBAPEX1
SCHEMBL5680060 0.90 TSHR (0.44) TSHRTHRBTDP1ALDH1A1
Methacrylic Acid SCHEMBL7607962 0.88 TSHR (0.50) TSHRHPGDTHRBPOLBAPEX1
SCHEMBL7915479 0.88 TSHR (0.50) TSHRHPGDTHRBPOLBAPEX1
Methacrylic Acid SCHEMBL7599834 0.88 TSHR (0.50) TSHRHPGDTHRBPOLBAPEX1
SCHEMBL2030893 0.87 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL7911912 0.85 TSHR (0.47) TSHRHPGDTHRBPOLBAPEX1
SCHEMBL10938501 0.84 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7997856 0.82 TSHR (0.66) TSHRHPGDTHRBPOLBAPEX1
Styrene SCHEMBL7873646 0.81 TSHR (0.39) TSHRHPGDPOLBAPEX1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677407-A TERPOLYMER OF BUTYL METHACRYLATE, ALLYL METHACRYLATE, ETHYLENE GLYCOL DIMETHACRYLATE AMCOL INTERNATIONAL CORPORATION (US) 1997-10-14 US claimed